SCHEMBL4040898

SCHEMBL4040898

CCCC(NC(=O)c1ccc(OC(F)F)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CTSK P43235 3/20 0.41
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
SLC5A7 Q9GZV3 1/20 0.37
PREP P48147 1/20 0.36
FAP Q12884 1/20 0.36
CCR1 P32246 2/20 0.35
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CTSV O60911 2/20 0.33
CTSL P07711 2/20 0.33
CTSS P25774 2/20 0.33
GAA P10253 1/20 0.33
USP30 Q70CQ3 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4045366 0.92 CTSK (0.50) RAB9ANPC1SMN1; SMN2CTSKLMNA
SCHEMBL4044041 0.92 CTSK (0.43) CTSKLMNAALDH1A1PKMSLC5A7
SCHEMBL4045232 0.92 CTSK (0.44) RAB9ANPC1CTSKLMNAALDH1A1
SCHEMBL4039557 0.91 CTSK (0.42) CTSKLMNAALDH1A1PKMSLC5A7
SCHEMBL4053232 0.91 CTSK (0.48) CTSKLMNAALDH1A1PKMSLC5A7
SCHEMBL4041378 0.90 CTSK (0.44) RAB9ASMN1; SMN2CTSKLMNAALDH1A1
SCHEMBL4042420 0.90 CTSK (0.46) SMN1; SMN2CTSKLMNAALDH1A1PKM
SCHEMBL4041623 0.90 CTSK (0.43) RAB9ANPC1SMN1; SMN2CTSKPREP
SCHEMBL4039999 0.89 CTSK (0.54) SMN1; SMN2CTSKLMNAALDH1A1PKM
SCHEMBL4040706 0.89 CTSK (0.45) CTSKLMNAALDH1A1PKMSLC5A7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS RAB9A 858/4885NPC1 787/4885SMN1; SMN2 3546/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.